4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

C35H35N — CID 155120070

IUPAC4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3
InChIKeyRRXODJXPSIGICH-UHFFFAOYSA-N
MW469.67 g/mol
LogP9.87
Rot. Bonds5

About 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 155120070) has the molecular formula C35H35N and a molecular weight of 469.67 g/mol. Its IUPAC name is 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
PubChem CID155120070
Molecular FormulaC35H35N
Molecular Weight469.67 g/mol
Exact Mass469.28
IUPAC Name4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3
InChIKeyRRXODJXPSIGICH-UHFFFAOYSA-N
XLogP9.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
CID 171429896
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
potassium;N,N-bis(4-tert-butylphenyl)-2,3-dichloro-5-methylaniline;4-tert-butyl-N-(4-tert-butylphenyl)-2-naphthalen-2-ylaniline;3-N-(4-tert-butyl-2-naphthalen-2-ylphenyl)-1-N,1-N,3-N-tris(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine;hydride;methane;vanadium
CID 163954378
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
CID 18331969
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167133373
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (CID 155120070) is 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is CC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is RRXODJXPSIGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3.
What are the key properties of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 469.67 g/mol, XLogP of 9.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 155120070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).